Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5581642533
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 16 USD | N/A | 9 working days | Get Quote |
| 5 mg | 16 USD | N/A | 9 working days | Get Quote |
| 10 mg | 16 USD | N/A | 9 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-5581642533.sdf |
| SMILES | MCULE-5581642533.smiles |
| Standard InChI | MCULE-5581642533.inchi |
| InChIKey | MCULE-5581642533.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867581090 | 95 | As is | in stock |
| P-875739811 | N/A | As is | in stock |
| P-590397066 | 97 | As is | in stock |
| P-903070028 | 98 | As is | 125 g |
| P-610978542 | 90 | As is | 417.012 g |
| P-606864582 | N/A | As is | in stock |
| P-489184767 | 97 | As is | in stock |
| P-596952476 | 95 | As is | 75 g |
| P-895957272 | 95 | As is | 1.9 g |
| P-864106566 | 95 | As is | in stock |
| P-590600457 | 95 | As is | 7.25 g |
| P-893226867 | 95 | As is | in stock |
| P-868604162 | 97 | As is | in stock |
| P-580270737 | 95 | As is | by resynthesis (? - ? days) |
| P-861980451 | 97 | As is | 202.766 g |
| P-905335714 | 97 | As is | 12 g |
| P-870646862 | N/A | As is | in stock |
| P-454318746 | 97 | As is | 100 mg |
| P-454401371 | 97 | As is | 500 mg |
| P-579659779 | 95 | As is | by resynthesis (? - ? days) |
| P-856042780 | 90 | As is | 2 g |
| P-31178233 | 90 | As is | 2 g |
| P-580501378 | N/A | As is | by synthesis |
| P-852450775 | N/A | As is | in stock |
| P-869094022 | 95 | As is | in stock |
| P-888891733 | N/A | As is | in stock |
| P-500402465 | 97 | As is | by synthesis |
| P-889866367 | 95 | As is | by synthesis |
| P-502360746 | 90 | As is | in stock |
| P-23195769 | 94 | As is | by resynthesis (? - ? days) |
| P-906761549 | 98 | As is | by synthesis |
| P-855354799 | 90 | As is | in stock |
| P-666982026 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.215 |
| logP | 1.3797 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 40.54 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 52.1938 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
